SCHEMBL4050933

SCHEMBL4050933

c1ccc(Oc2cccc(-c3nc4ccc(-c5ccco5)cc4o3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
GPR119 Q8TDV5 9/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
VSIR Q9H7M9 2/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
ADORA2A P29274 1/20 0.43
MCL1 Q07820 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4061714 0.87 ALOX5 (0.56) ALOX5GPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4059615 0.87 RAB9A (0.60) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4054658 0.85 GPR119 (0.58) GPR119NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4052985 0.84 ALDH1A1 (0.60) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4054470 0.84 ADORA1 (0.47) ALOX5GPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4050856 0.84 GPR119 (0.55) ALOX5GPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4053161 0.84 ALOX5 (0.52) ALOX5GPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4051369 0.82 PPARD (0.47) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4051901 0.81 NPC1 (0.62) ALOX5GPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4051830 0.81 RAB9A (0.55) ALOX5GPR119NPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B ALOX5 1869/4885GPR119 1677/4885NPC1 4740/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.